Information card for entry 4106197

Structure parameters

• Common name: [SiPipr2SAd]FeCp
• Formula: C96 H120 Fe2 O P4 S2 Si4
• Calculated formula: C96 H120 Fe2 O P4 S2 Si4
• Title of publication: Dinitrogen Complexes of Sulfur-Ligated Iron
• Authors of publication: Ayumi Takaoka; Neal P. Mankad; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 8440 - 8443
• a: 27.2245 ± 0.0006 Å
• b: 27.2245 ± 0.0006 Å
• c: 13.8202 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10243.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No